SCHEMBL9707244

SCHEMBL9707244

CN(O)C(=O)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.66
BCHE P06276 2/20 0.60
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.53
MAOB P27338 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10457641 0.92 ALOX5 (0.56) ALOX5BCHEPTGS1PTGS2LMNA
SCHEMBL8519393 0.82 BCHE (0.63) ALOX5BCHEPTGS1PTGS2LMNA
SCHEMBL26633561 0.82 BCHE (0.67) BCHELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13652546 0.80 LMNA (0.61) BCHELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2755055 0.80 ALOX5 (1.00) ALOX5PTGS1PTGS2MAOB
SCHEMBL7400144 0.80 BCHE (0.63) ALOX5BCHE
SCHEMBL9781762 0.79 ALDH1A1 (0.57) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25180069 0.79 ALOX5 (0.57) ALOX5BCHELMNAMEN1KMT2A
SCHEMBL8935238 0.78 LTA4H (0.67) BCHEKMT2AADAMTS5MAOB
SCHEMBL8389369 0.78 NPC1 (0.71) ALOX5BCHELMNAKMT2AADAMTS5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed